Subject: torsional parameters in MM2/MM3

From: Wei Zhuang <[email-masked]>
Date: Mon, 17 Sep 2001 16:28:21 -0400

Hi,all:
the formula of calculating torsional energy in MM3 is like:

E=(k'/2)(1+cosA)+(k"/2)(1-cos2A)+(k'''/2)(1+cos3A).

so I need 3 parameters:k',k",k''',but in the oringinal papers, when they
talked about the types including O and S, they only gave one
parameter,could anybody tell me why?thanks.

regards

wei zhuang

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